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10 积分 2025-09-08 加入
SigmaCCS2: Collision cross section prediction using molecular topological and geometric information with graph neural network
2个月前
已完结
Large-scale prediction of collision cross-section with very deep graph convolutional network for small molecule identification
3个月前
已完结
SigmaCCS2: Collision cross section prediction using molecular topological and geometric information with graph neural network
3个月前
已完结
CCS Predictor 2.0: An Open-Source Jupyter Notebook Tool for Filtering Out False Positives in Metabolomics
3个月前
已完结
FastCCS: A Deep Learning Framework for Accurate Collision Cross-Section Prediction from SMILES with Broad Applications in Cheminformatics and Omics
4个月前
已完结
Graph Convolutional Networks for Improved Prediction and Interpretability of Chromatographic Retention Data
5个月前
已完结
Deep graph convolutional network for small-molecule retention time prediction
5个月前
已完结
Predicting Collision Cross-Section Values for Small Molecules through Chemical Class-Based Multimodal Graph Attention Network
6个月前
已完结
Large Language Model-Empowered Compound Collision Cross-Section Prediction
9个月前
已完结